(5S,7R)-8-[(6-fluoro-1H-indol-3-yl)methyl]-1-(3-fluorophenyl)-7-methyl-1,8-diazaspiro[4.5]dec-3-en-2-one

C24H23F2N3O — CID 67406387

IUPAC(5S,7R)-8-[(6-fluoro-1H-indol-3-yl)methyl]-1-(3-fluorophenyl)-7-methyl-1,8-diazaspiro[4.5]dec-3-en-2-one
SMILESC[C@@H]1C[C@]2(C=CC(=O)N2c2cccc(F)c2)CCN1Cc1c[nH]c2cc(F)ccc12
InChIInChI=1S/C24H23F2N3O/c1-16-13-24(8-7-23(30)29(24)20-4-2-3-18(25)11-20)9-10-28(16)15-17-14-27-22-12-19(26)5-6-21(17)22/h2-8,11-12,14,16,27H,9-10,13,15H2,1H3/t16-,24+/m1/s1
InChIKeyVVRFGXIZLOOMNY-GYCJOSAFSA-N
MW407.46 g/mol
LogP4.77
Rot. Bonds3

About (5S,7R)-8-[(6-fluoro-1H-indol-3-yl)methyl]-1-(3-fluorophenyl)-7-methyl-1,8-diazaspiro[4.5]dec-3-en-2-one

(5S,7R)-8-[(6-fluoro-1H-indol-3-yl)methyl]-1-(3-fluorophenyl)-7-methyl-1,8-diazaspiro[4.5]dec-3-en-2-one (PubChem CID 67406387) has the molecular formula C24H23F2N3O and a molecular weight of 407.46 g/mol. Its IUPAC name is (5S,7R)-8-[(6-fluoro-1H-indol-3-yl)methyl]-1-(3-fluorophenyl)-7-methyl-1,8-diazaspiro[4.5]dec-3-en-2-one.

Molecular Properties

Compound Name(5S,7R)-8-[(6-fluoro-1H-indol-3-yl)methyl]-1-(3-fluorophenyl)-7-methyl-1,8-diazaspiro[4.5]dec-3-en-2-one
PubChem CID67406387
Molecular FormulaC24H23F2N3O
Molecular Weight407.46 g/mol
Exact Mass407.18
IUPAC Name(5S,7R)-8-[(6-fluoro-1H-indol-3-yl)methyl]-1-(3-fluorophenyl)-7-methyl-1,8-diazaspiro[4.5]dec-3-en-2-one
SMILESC[C@@H]1C[C@]2(C=CC(=O)N2c2cccc(F)c2)CCN1Cc1c[nH]c2cc(F)ccc12
InChIInChI=1S/C24H23F2N3O/c1-16-13-24(8-7-23(30)29(24)20-4-2-3-18(25)11-20)9-10-28(16)15-17-14-27-22-12-19(26)5-6-21(17)22/h2-8,11-12,14,16,27H,9-10,13,15H2,1H3/t16-,24+/m1/s1
InChIKeyVVRFGXIZLOOMNY-GYCJOSAFSA-N
XLogP4.77
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.46
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5S,7R)-8-[(6-fluoro-1H-indol-3-yl)methyl]-1-(3-fluorophenyl)-7-methyl-1,8-diazaspiro[4.5]dec-3-en-2-one?
The IUPAC name of (5S,7R)-8-[(6-fluoro-1H-indol-3-yl)methyl]-1-(3-fluorophenyl)-7-methyl-1,8-diazaspiro[4.5]dec-3-en-2-one (CID 67406387) is (5S,7R)-8-[(6-fluoro-1H-indol-3-yl)methyl]-1-(3-fluorophenyl)-7-methyl-1,8-diazaspiro[4.5]dec-3-en-2-one.
What is the SMILES notation for (5S,7R)-8-[(6-fluoro-1H-indol-3-yl)methyl]-1-(3-fluorophenyl)-7-methyl-1,8-diazaspiro[4.5]dec-3-en-2-one?
The canonical SMILES for (5S,7R)-8-[(6-fluoro-1H-indol-3-yl)methyl]-1-(3-fluorophenyl)-7-methyl-1,8-diazaspiro[4.5]dec-3-en-2-one is C[C@@H]1C[C@]2(C=CC(=O)N2c2cccc(F)c2)CCN1Cc1c[nH]c2cc(F)ccc12.
What is the InChIKey of (5S,7R)-8-[(6-fluoro-1H-indol-3-yl)methyl]-1-(3-fluorophenyl)-7-methyl-1,8-diazaspiro[4.5]dec-3-en-2-one?
The InChIKey is VVRFGXIZLOOMNY-GYCJOSAFSA-N. The full InChI is InChI=1S/C24H23F2N3O/c1-16-13-24(8-7-23(30)29(24)20-4-2-3-18(25)11-20)9-10-28(16)15-17-14-27-22-12-19(26)5-6-21(17)22/h2-8,11-12,14,16,27H,9-10,13,15H2,1H3/t16-,24+/m1/s1.
What are the key properties of (5S,7R)-8-[(6-fluoro-1H-indol-3-yl)methyl]-1-(3-fluorophenyl)-7-methyl-1,8-diazaspiro[4.5]dec-3-en-2-one?
(5S,7R)-8-[(6-fluoro-1H-indol-3-yl)methyl]-1-(3-fluorophenyl)-7-methyl-1,8-diazaspiro[4.5]dec-3-en-2-one has a molecular weight of 407.46 g/mol, XLogP of 4.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,7R)-8-[(6-fluoro-1H-indol-3-yl)methyl]-1-(3-fluorophenyl)-7-methyl-1,8-diazaspiro[4.5]dec-3-en-2-one is sourced from PubChem (CID 67406387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).